NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6347 8.2893 120.6132 55.6573 33.1824 173.9300 2 E 4.6831 9.0991 124.3617 53.8697 33.4659 173.1396 3 K 5.1289 8.6960 118.9468 55.0120 35.1814 176.9015 4 T 4.7355 8.7454 117.2485 60.3651 71.8700 171.7720 5 L 5.0948 8.4438 126.7695 53.5578 44.1370 174.9743 6 S 5.2648 9.1022 120.9613 56.5271 65.6743 172.5237 7 I 4.8644 8.5264 126.3384 59.5381 40.6904 174.4778 8 I 4.5820 8.9295 128.8611 60.5176 38.3588 176.2684 9 K 4.4282 9.1191 127.5692 55.0613 33.3666 176.7042 10 P 4.5106 0.0000 0.0000 64.8497 30.6736 178.7575 11 D 4.4286 8.2259 117.6707 56.7693 39.2243 178.5707 12 A 4.0138 8.0291 122.5553 54.2128 18.4353 179.5650 13 V 3.4966 7.8692 116.9530 66.0897 31.3919 178.2487 14 K 3.9856 8.0608 118.3286 59.3758 32.1308 178.7070 15 K 4.1478 8.0700 117.8108 57.0229 32.2097 176.8497 16 G 3.7897 7.9870 106.7589 47.3842 0.0000 174.3668 17 V 4.2353 7.2180 109.2318 60.5712 32.7486 178.6168 18 I 3.6640 7.9366 123.0291 64.5144 36.8164 178.1573 19 G 3.5657 7.9217 105.8287 47.8577 0.0000 175.6423 20 K 3.9307 7.7849 120.6050 59.0507 31.5395 179.4650 21 I 3.4336 7.5145 120.0909 64.2208 37.0394 178.4343 22 L 4.0403 7.9321 120.0514 57.8419 41.3693 179.0796 23 D 4.3395 8.3221 118.2576 57.2875 40.8588 178.4183 24 R 3.8600 7.2842 117.4317 59.1878 30.2961 178.7851 25 F 4.6386 7.1905 116.2613 60.9409 38.8041 177.7604 26 E 4.7637 8.0588 115.9192 59.0036 29.3692 178.4973 27 S 4.4715 8.1971 112.9569 59.8205 63.1530 173.9479 28 N 4.9948 7.8653 118.5096 53.0563 39.2516 175.2058 29 G 3.9389 8.8051 103.5230 45.6254 0.0000 173.5679 30 L 4.8639 7.7523 118.9298 52.4813 44.4603 175.2604 31 R 4.6708 9.0229 124.0554 55.1140 32.0727 175.4081 32 I 4.4425 8.3826 126.4974 61.2893 36.8628 175.1519 33 A 4.4580 9.0676 130.2540 53.2265 20.1021 177.0291 34 A 4.6242 7.3723 114.7701 50.8699 22.9869 174.9431 35 M 5.1967 8.4659 116.9064 54.8094 35.3730 174.0242 36 K 4.6487 8.9889 123.4779 55.6331 36.5708 174.3987 37 K 4.7429 8.6029 124.7752 55.9580 33.1855 176.0723 38 V 4.5307 8.7702 119.6642 59.8300 36.7196 174.1039 39 Q 4.5871 8.4773 124.2692 54.3380 29.5135 175.4672 40 L 4.3637 8.2791 126.3603 54.4654 42.5374 177.8905 41 S 4.4224 8.8057 118.2878 57.5279 65.1587 175.3656 42 K 3.8149 8.5639 123.6969 59.8541 31.9186 178.2314 43 E 3.9747 8.2824 118.8005 59.7638 29.4044 178.8032 44 Q 4.1435 8.2108 117.5272 58.9341 28.7862 178.6287 45 A 4.0784 8.4804 122.2283 55.1214 18.3583 179.4299 46 E 4.0854 8.6049 117.4576 59.8924 29.3961 179.4563 47 N 4.4533 8.2792 115.1660 56.2229 38.5850 176.9784 48 F 3.1308 8.3437 122.1834 61.0198 39.5650 176.4181 49 Y 4.2189 8.1051 114.7879 59.4724 37.7502 177.4598 50 A 4.1007 8.2953 121.4996 54.6217 18.7364 179.4029 51 V 3.6195 7.4312 117.7409 66.2930 31.3173 177.7248 52 H 3.7548 8.3332 117.2419 59.0543 30.8510 176.1604 53 K 4.0527 7.3270 118.2998 57.6793 31.4533 174.8412 *55 R 4.1686 7.4621 117.4921 56.2530 30.8644 174.3938 56 P 4.4304 0.0000 0.0000 64.7564 31.9912 176.2004 57 F 4.5198 7.8277 121.4268 56.1774 41.3440 174.0397 58 F 4.0463 8.6065 131.0896 61.0659 39.3410 176.7306 59 K 3.7515 7.6109 118.7665 59.8832 31.9762 178.3400 60 D 4.4492 8.2859 118.4083 56.9720 40.7164 178.4329 61 L 3.9241 7.4517 120.8471 57.9040 42.0905 179.0281 62 V 3.4484 7.3960 118.0915 66.0893 31.2259 177.6226 63 E 3.9433 7.9597 116.7911 59.5190 29.6387 178.9323 64 F 4.4895 8.3975 120.4545 61.7320 39.3262 176.8908 65 M 3.8986 8.2298 116.4617 56.6353 31.6765 177.4759 66 I 4.2885 7.4186 112.6350 60.7346 38.1317 177.2847 67 S 4.0733 7.8722 116.5689 60.5164 63.0579 173.4043 68 G 3.9460 6.8040 109.4983 43.9542 0.0000 170.8749 69 P 4.6219 0.0000 0.0000 62.8357 32.8599 175.5789 70 V 4.4989 8.9220 113.5446 59.5451 36.2996 174.5855 71 V 4.6071 8.3802 121.1978 61.3355 33.7288 174.1866 72 V 4.6396 8.4824 128.5149 61.4213 33.3358 174.7320 73 S 5.2230 8.9991 122.8073 56.9500 67.8144 172.7421 74 I 4.7446 8.4218 123.3312 59.9464 39.0360 174.5992 75 L 5.0388 8.8376 127.4692 52.8687 44.0737 175.0176 76 E 5.0348 9.5767 125.0613 53.5770 32.6932 175.2135 77 G 4.2426 8.1300 113.9260 45.9424 0.0000 171.7293 78 E 4.2337 8.7629 120.2611 57.4152 29.8981 177.4759 79 G 3.9538 8.9680 111.4498 46.3302 0.0000 175.2811 80 A 4.0009 8.2268 123.4867 54.9537 18.0543 180.1367 81 V 3.5076 8.2859 116.5568 66.4158 31.6136 178.4014 82 L 4.0294 7.8216 118.1180 57.3341 41.4966 179.0942 83 K 3.8840 8.5599 120.1786 59.5070 32.0581 178.1110 84 N 4.3223 8.4126 117.4582 56.8943 38.8561 176.8001 85 R 3.9543 7.6983 119.2905 59.5231 29.9880 178.5564 86 D 4.4332 8.0556 117.2011 57.7343 41.0895 178.9003 87 L 4.2313 8.2716 119.3754 57.8365 41.5249 179.5078 88 M 4.1611 8.5805 119.4848 56.9137 31.9327 177.5265 89 G 4.0094 8.0515 103.7674 44.1142 0.0000 172.4971 90 A 4.1340 8.2166 121.1091 52.1637 18.8923 177.7197 91 T 3.9290 8.6770 119.1445 66.5239 68.8087 173.8942 92 N 4.6782 8.0019 120.7646 51.5799 39.6545 173.4516 93 P 4.2638 0.0000 0.0000 65.5859 31.7256 178.8876 94 K 3.9590 8.1198 116.7873 59.1252 32.0242 177.7880 95 E 4.2441 8.2577 116.6937 57.2269 30.0876 176.7865 96 A 4.1768 7.4297 121.5390 51.3368 19.2120 177.4938 97 K 3.9553 8.5694 120.5760 56.1239 32.7862 176.6416 98 A 4.1249 8.4201 125.5084 54.1312 18.5818 178.1873 99 G 3.9223 8.8507 109.8305 45.8586 0.0000 174.3570 100 T 4.4676 7.5438 110.8509 60.6707 71.4495 175.7926 101 I 3.8969 8.4429 122.9072 64.8250 37.2392 179.1911 102 R 4.0009 8.5004 119.0368 59.0752 29.6817 178.6980 103 A 3.9632 7.5558 119.3856 55.5090 18.3828 179.0753 104 D 4.1141 7.7627 115.9048 56.0866 41.0339 177.4102 105 F 4.9200 8.0702 113.8136 56.5423 41.0368 174.6104 106 A 4.7723 7.7487 123.8416 50.5522 20.3634 177.1536 107 E 4.1452 8.8696 122.2787 59.0947 30.1703 176.5491 108 S 4.5316 7.6058 111.0066 57.5582 66.0456 175.5363 109 I 3.6886 8.3842 120.5027 64.7507 36.6995 177.3796 110 D 4.3586 7.4079 117.1277 55.4922 41.1133 176.9583 111 A 4.0680 7.5337 122.1024 49.9778 19.2410 175.5442 112 N 5.0252 8.2516 116.9593 51.9001 38.5296 177.4323 113 A 4.3813 9.2752 127.7597 53.6634 18.4844 179.0590 114 V 5.1616 8.1730 106.0329 60.2727 36.2078 174.4355 115 H 5.1311 9.5894 123.2545 54.5895 32.9862 172.9377 116 G 4.5243 8.1857 109.7088 44.2894 0.0000 172.4594 117 S 4.6010 8.5615 120.2275 59.1883 63.2745 174.4836 118 D 4.7283 8.7927 121.5339 53.6978 40.2836 176.5037 119 S 4.6179 7.3723 114.0701 56.1859 66.9018 174.7306 120 L 3.9121 8.4548 124.0973 58.2111 41.6741 178.5441 121 E 3.9317 8.2214 118.7442 59.7565 29.5004 178.6391 122 N 4.3903 8.3975 115.8083 55.7723 38.4477 177.3819 123 A 4.0465 8.1915 122.8011 55.0476 18.5221 179.5055 124 K 3.9179 8.1543 118.0760 59.7710 32.2692 179.0589 125 I 3.7985 7.5669 120.0894 64.5206 37.0300 178.3753 126 E 4.3034 8.6224 119.6219 59.4384 29.3492 179.4070 127 I 4.0812 8.3267 120.2317 64.7555 37.0411 178.4591 128 E 4.1574 8.2942 117.8929 59.0761 29.2645 178.9257 129 F 4.0368 8.0958 120.4310 61.0594 39.5763 176.5988 130 F 4.4392 8.0159 114.8551 57.3840 39.3135 175.7127 131 F 4.8088 8.0412 115.7454 55.5098 40.6122 174.7416 132 K 4.4438 9.6648 126.3482 54.4301 33.1336 176.7646 133 P 4.2794 0.0000 0.0000 65.6935 31.2517 177.8558 134 N 4.5463 8.0643 113.8431 54.6876 37.7205 175.6056 135 E 4.3483 8.2397 117.5811 56.9974 30.1350 176.1336 136 I 4.6079 7.3699 118.5033 58.6469 41.0941 174.2814 137 C 4.2851 8.8072 120.9109 58.6734 29.2675 173.3988 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.29 4.63 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.67 0.00 2 E 9.10 4.68 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 3 K 8.70 5.13 0.00 1.62 1.71 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.29 1.37 7.81 4 T 8.75 4.74 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 5 L 8.44 5.09 0.00 1.91 1.78 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 6 S 9.10 5.26 0.00 3.57 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.53 4.86 1.85 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.44 0.79 0.00 0.00 8 I 8.93 4.58 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.03 0.89 0.00 0.00 9 K 9.12 4.43 0.00 2.06 1.71 0.00 2.04 0.00 0.00 2.05 0.00 0.00 3.05 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.53 1.70 7.81 10 P 0.00 4.51 0.00 1.87 2.00 0.00 2.99 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 11 D 8.23 4.43 0.00 3.01 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.03 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.87 3.50 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.95 0.00 0.00 14 K 8.06 3.99 0.00 1.91 1.99 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.49 7.81 15 K 8.07 4.15 0.00 2.03 1.88 0.00 1.94 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.51 7.81 16 G 7.99 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.22 4.24 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.62 0.00 0.00 18 I 7.94 3.66 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.59 0.88 0.00 0.00 19 G 7.92 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.78 3.93 0.00 1.59 1.83 0.00 1.71 0.00 0.00 2.12 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.50 7.81 21 I 7.51 3.43 1.75 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.51 0.65 0.00 0.00 22 L 7.93 4.04 0.00 1.78 1.77 0.94 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.32 4.34 0.00 2.82 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.28 3.86 0.00 1.54 1.86 0.00 3.39 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 25 F 7.19 4.64 0.00 3.25 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.06 4.76 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 27 S 8.20 4.47 0.00 3.93 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 7.87 4.99 0.00 2.90 2.82 0.00 0.00 7.05 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.81 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.75 4.86 0.00 1.92 1.53 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 31 R 9.02 4.67 0.00 1.84 1.76 0.00 3.07 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 32 I 8.38 4.44 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.72 0.95 0.00 0.00 33 A 9.07 4.46 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.37 4.62 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 M 8.47 5.20 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 36 K 8.99 4.65 0.00 1.83 1.91 0.00 1.31 0.00 0.00 1.63 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.41 1.31 7.81 37 K 8.60 4.74 0.00 1.77 1.73 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.68 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.53 7.81 38 V 8.77 4.53 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.83 0.00 0.00 39 Q 8.48 4.59 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 40 L 8.28 4.36 0.00 1.67 1.61 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.81 4.42 0.00 4.07 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.56 3.81 0.00 1.85 1.88 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.52 7.81 43 E 8.28 3.97 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 44 Q 8.21 4.14 0.00 2.35 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 45 A 8.48 4.08 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.60 4.09 0.00 2.34 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 47 N 8.28 4.45 0.00 3.18 3.22 0.00 0.00 7.04 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.34 3.13 0.00 2.30 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.11 4.22 0.00 3.25 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.30 4.10 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.43 3.62 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.80 0.00 0.00 52 H 8.33 3.75 0.00 3.51 3.44 0.00 5.82 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.33 4.05 0.00 2.10 2.23 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.43 7.81 *55 R 7.46 4.17 0.00 2.14 2.25 0.00 3.24 0.00 0.00 3.59 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 56 P 0.00 4.43 0.00 2.29 2.27 0.00 3.86 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 57 F 7.83 4.52 0.00 3.07 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 8.61 4.05 0.00 3.02 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.61 3.75 0.00 1.76 1.82 0.00 1.82 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.58 1.56 7.81 60 D 8.29 4.45 0.00 2.91 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.45 3.92 0.00 1.69 1.51 0.77 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.40 3.45 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.19 0.00 0.00 63 E 7.96 3.94 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 64 F 8.40 4.49 0.00 3.08 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 M 8.23 3.90 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.88 0.00 66 I 7.42 4.29 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.90 0.99 0.00 0.00 67 S 7.87 4.07 0.00 4.10 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.80 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.62 0.00 2.08 2.15 0.00 3.60 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 70 V 8.92 4.50 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.77 0.00 0.00 71 V 8.38 4.61 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.90 0.00 0.00 72 V 8.48 4.64 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.25 0.00 0.00 73 S 9.00 5.22 0.00 3.70 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.42 4.74 1.65 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.30 0.82 0.00 0.00 75 L 8.84 5.04 0.00 1.34 1.36 -0.25 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 76 E 9.58 5.03 0.00 1.92 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.32 0.00 77 G 8.13 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.76 4.23 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 79 G 8.97 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.23 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.29 3.51 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.94 0.00 0.00 82 L 7.82 4.03 0.00 1.74 1.71 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.56 3.88 0.00 1.88 1.90 0.00 1.59 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.56 7.81 84 N 8.41 4.32 0.00 2.81 2.99 0.00 0.00 7.27 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 7.70 3.95 0.00 2.05 2.00 0.00 3.21 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 86 D 8.06 4.43 0.00 2.89 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.27 4.23 0.00 2.04 1.85 1.20 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 88 M 8.58 4.16 0.00 2.12 2.34 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.72 0.00 89 G 8.05 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.22 4.13 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.68 3.93 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 92 N 8.00 4.68 0.00 2.72 2.70 0.00 0.00 7.19 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.26 0.00 2.21 2.34 0.00 3.66 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.13 0.00 94 K 8.12 3.96 0.00 1.82 1.88 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.57 7.81 95 E 8.26 4.24 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 96 A 7.43 4.18 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.57 3.96 0.00 1.83 1.75 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.45 7.81 98 A 8.42 4.12 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.85 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 7.54 4.47 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 101 I 8.44 3.90 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.82 1.07 0.00 0.00 102 R 8.50 4.00 0.00 1.93 2.01 0.00 3.42 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.84 0.00 103 A 7.56 3.96 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 7.76 4.11 0.00 1.67 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.07 4.92 0.00 3.14 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.75 4.77 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.87 4.15 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 108 S 7.61 4.53 0.00 3.86 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.38 3.69 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.52 0.90 0.00 0.00 110 D 7.41 4.36 0.00 2.35 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.53 4.07 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 N 8.25 5.03 0.00 2.97 3.29 0.00 0.00 6.06 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 9.28 4.38 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.17 5.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.11 0.00 0.00 115 H 9.59 5.13 0.00 3.38 3.20 0.00 5.74 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 G 8.19 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.56 4.60 0.00 3.83 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.79 4.73 0.00 2.77 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 S 7.37 4.62 0.00 4.03 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.45 3.91 0.00 1.74 1.72 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.22 3.93 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 122 N 8.40 4.39 0.00 2.90 2.87 0.00 0.00 6.98 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.19 4.05 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.15 3.92 0.00 1.88 2.00 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.52 7.81 125 I 7.57 3.80 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.57 0.91 0.00 0.00 126 E 8.62 4.30 0.00 2.29 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 127 I 8.33 4.08 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.81 1.02 0.00 0.00 128 E 8.29 4.16 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 129 F 8.10 4.04 0.00 3.14 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 F 8.02 4.44 0.00 3.01 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 F 8.04 4.81 0.00 3.16 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 9.66 4.44 0.00 1.73 1.71 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.46 7.81 133 P 0.00 4.28 0.00 2.04 2.14 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 134 N 8.06 4.55 0.00 2.84 2.95 0.00 0.00 6.02 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.24 4.35 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.25 0.00 136 I 7.37 4.61 1.95 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.70 0.99 0.00 0.00 137 C 8.81 4.29 0.00 3.10 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.